::!\bin\sh IF NOT EXIST %TEMPRES%\rnase_out.tls (echo "! run the refmac5_tls.exam procedure first" 1>&2 && GOTO :EOF) :: Analyse TLS parameters from previous fitting procedure. tlsanl xyzin %TEMPRES%\rnase_out.pdb tlsin %TEMPRES%\rnase_out.tls xyzout %TEMPRES%\rnase_tlsanl.pdb < %SCRIPTWIN%\tlsanl.dat :: Extract sample results for testing purposes - these can :: be compared with runs with different versions or on different :: platforms echo " " >> %TEMPRES%\sample_results echo " *** tlsanl.exam *** " >> %TEMPRES%\sample_results echo " " >> %TEMPRES%\sample_results find "A 1 " %TEMPRES%\rnase_tlsanl.pdb >> %TEMPRES%\sample_results